SCHEMBL6890582

SCHEMBL6890582

Cn1c(-c2cccc(Cl)c2)nc2cc(N3CCN4CCC3CC4)ccc2c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
CHRNA7 P36544 2/20 0.43
MAOB P27338 1/20 0.41
EGFR P00533 2/20 0.39
KCNH2 Q12809 5/20 0.39
HRH3 Q9Y5N1 4/20 0.39
ADRA1A P35348 2/20 0.38
CYP1A2 P05177 3/20 0.38
CYP2C9 P11712 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NLRP3 Q96P20 1/20 0.38
MEN1 O00255 1/20 0.37
AVPR1A P37288 1/20 0.37
KMT2A Q03164 1/20 0.37
PDE4A P27815 1/20 0.37
HSD17B10 Q99714 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6888094 0.92 KDM4E (0.44) KDM4ELMNAHTTCHRNA7MAOB
SCHEMBL11905558 0.89 CHRNA7 (0.43) CHRNA7KCNH2HRH3ADRA1ACYP1A2
SCHEMBL6887956 0.86 CHRNA7 (0.41) CHRNA7KCNH2HRH3ADRA1ACYP1A2
SCHEMBL6888683 0.83 CHRNA7 (0.46) CHRNA7KCNH2HRH3ADRA1ASMN1; SMN2
SCHEMBL6886757 0.83 KDM4E (0.41) KDM4ELMNAHTTMAOBKCNH2
SCHEMBL6887461 0.82 CHRNA7 (0.48) CHRNA7KCNH2HRH3ADRA1A
SCHEMBL1668821 0.82 HRH3 (0.39) CHRNA7KCNH2HRH3ADRA1ACYP1A2
SCHEMBL6889811 0.81 CHRNA7 (0.52) CHRNA7KCNH2HRH3ALOX15
SCHEMBL6886634 0.81 AVPR1B (0.44) EGFRAVPR1A
SCHEMBL6887469 0.81 CHRNA7 (0.43) CHRNA7KCNH2HRH3ADRA1ACYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488520-B1 CONDENSED AZINE-DERIVATIVES FOR THE TREATMENT OF DISEASES RELATED TO THE ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME (NL) 2015-09-02 EP disclosed
EP-2488520-B1 CONDENSED AZINE-DERIVATIVES FOR THE TREATMENT OF DISEASES RELATED TO THE ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME (NL) 2015-09-02 EP disclosed
US-8841289-B2 Heterocyclic derivatives MERCK SHARP & DOHME B.V. (US) 2014-09-23 US disclosed
US-8841289-B2 Heterocyclic derivatives MERCK SHARP & DOHME B.V. (US) 2014-09-23 US disclosed
US-8841289-B2 Heterocyclic derivatives MERCK SHARP & DOHME B.V. (US) 2014-09-23 US disclosed
US-20120208796-A1 HETEROCYCLIC DERIVATIVES ORGANON BIOSCIENCES NEDERLAND B.V. (NL) 2012-08-16 US disclosed
US-20120208796-A1 HETEROCYCLIC DERIVATIVES ORGANON BIOSCIENCES NEDERLAND B.V. (NL) 2012-08-16 US disclosed
US-20120208796-A1 HETEROCYCLIC DERIVATIVES ORGANON BIOSCIENCES NEDERLAND B.V. (NL) 2012-08-16 US disclosed
WO-2011045258-A1 CONDENSED AZINE - DERIVATIVES FOR THE TREATMENT OF DISEASES RELATED TO THE ACETYLCHOLINE RECEPTOR N.V. ORGANON (NL) 2011-04-21 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120208796-A1 HETEROCYCLIC DERIVATIVES CHRNA5, CHRM5, CHRNA7 KDM4E 2824/4885LMNA 4211/4885HTT 170/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.